P-1 |
A. Tezuka | Potential surface of hydrogen atom in LaNi5H | ||||||

P-2 |
T.-R. Chang | Electronic structure of ferrimagnetic Ca3Co2O6: GGA+U investigations | ||||||

P-3 |
H.-R. Fuh | Strain induced band structure changes in silicon [110] nanowires: First principle calculations using OpenMX | ||||||

P-4 |
H. Jeong | Self-consistent determination of on-site Coulomb energy U in ab-initio LCPAO formalism | ||||||

P-5 |
H. Yi | First-principle calculation of the electronic and geometric structure of the h-BN/Ir(111) interface | ||||||

P-6 |
C.-L. Huang | Quantum Monte Carlo study of Boron 13 Cluster | ||||||

P-7 |
S.-F. Huang | First principles study of nitrogen-doped graphite as catalytic materials for fuel cell | ||||||

P-8 |
H. Valencia | EMIM-BF4 room temperature ionic liquid adsorption on Li surfaces, a DFT study | ||||||

P-9 |
H.-L. Huang | Calculation of band structure parameters for wurtzite gallium nitride by OpenMX | ||||||

P-10 |
K. Sawada | Energy Gaps tuning in Graphene Nanoribbons | ||||||

P-11 |
K. Sawada | First-principles calculation of lattice distortions and exchange interactions in perovskite manganites | ||||||

P-12 |
J. Kim | Electronic structure and properties of Sr and O vacancies in SrTiO3 | ||||||

P-13 |
N. W. Kim | Electronic Structure of Fe/MgO(001) Interface | ||||||

P-14 |
N. A. Tuan | Influence of Ligand Substitution on the Electronic Structure and Magnetic Properties of Mn4 Single-Molecule Magnets | ||||||

P-15 |
I. Solovyev | Orbital Ordering and Magnetic Interactions in BiMnO3 | ||||||

P-16 |
W. S. Su | Electronic properties of C60 inside (10,10) and (17,0) nanotube: A First-Principles Study | ||||||

P-17 |
Y. H. Su | First Principles Studies of C60 Adsorbing with Anthocyanidins | ||||||

P-18 |
N. Taguchi | Study of atomic and electronic structure of Pd/Au slab model | ||||||

P-19 |
T. Tamura | Band-resolved analysis of linear optical properties in silica glass | ||||||

P-20 |
M. Toyoda | First-principles Study of Magnetic Interaction in Dilute Magnetic Semiconductors | ||||||

P-21 |
C. H. Kim | Thickness Dependence of Electronic and Magnetic Properties of Ultrathin SrRuO3 | ||||||

P-22 |
H. Kim | Non-Collinear Magnetic Structure and Charge Orderings in NaxCoO2 (For x=1/2 and 1/3) | ||||||

P-23 |
M. Otani | A new approach to first principles calculation of charged surface/interface | ||||||

P-24 |
R. Belkada | Atomic and Electronic Structures of Au/Pentacene Interface by First-principles Calculations | ||||||

P-25 |
Y. Shiihara | Calculation of gauge-independent atomic local stress by using QMAS | ||||||

P-26 |
H. Tomono | Peierls distortion of endohedral atoms in clathrate I | ||||||

P-27 |
A. Sugiyama | Transport properties of parallel carbon nanotubes adhered by Pt atom | ||||||

P-28 |
V. I. Artyukhov | New Phase of Polymeric C60: Double Chains via [2+2] Cycloaddition | ||||||

P-29 |
J. Zhou | Vibrational property and Raman spectrum of carbon nanoribbon |